ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]carbamothioylamino]benzoate CAS Name: 4-[[[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]carbamothioylamino]benzoate Traditional Name: 4-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H17ClN4O2S MolecularWeight: 400.88188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NNC(=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NNC(=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4O2S/c1-2-26-18(25)13-5-9-15(10-6-13)21-19(27)22-17-11-16(23-24-17)12-3-7-14(20)8-4-12/h3-11H,2H2,1H3,(H3,21,22,23,24,27)